N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide

C25H32Cl2N2O3 — CID 132724807

About N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide

N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide (PubChem CID 132724807) has the molecular formula C25H32Cl2N2O3 and a molecular weight of 479.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide
• PubChem CID: 132724807
• Molecular Formula: C25H32Cl2N2O3
• Molecular Weight: 479.45 g/mol
• Exact Mass: 478.18
• IUPAC Name: N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide
• SMILES: CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(CC)C(=O)NC(C)CC)cc1
• InChI: InChI=1S/C25H32Cl2N2O3/c1-5-17(4)28-25(31)23(7-3)29(15-19-10-11-20(26)14-22(19)27)24(30)16-32-21-12-8-18(6-2)9-13-21/h8-14,17,23H,5-7,15-16H2,1-4H3,(H,28,31)
• InChIKey: IIBDFKPHPNPJCY-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.45
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide?

The IUPAC name of N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide (CID 132724807) is N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide.

What is the SMILES notation for N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide?

The canonical SMILES for N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide is CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(CC)C(=O)NC(C)CC)cc1.

What is the InChIKey of N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide?

The InChIKey is IIBDFKPHPNPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O3/c1-5-17(4)28-25(31)23(7-3)29(15-19-10-11-20(26)14-22(19)27)24(30)16-32-21-12-8-18(6-2)9-13-21/h8-14,17,23H,5-7,15-16H2,1-4H3,(H,28,31).

What are the key properties of N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide?

N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide has a molecular weight of 479.45 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 132724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).